SCHEMBL14615567

SCHEMBL14615567

C=C(N[C@H](Cc1csc2ccccc12)C(=O)N[C@H](Cc1ccc2ccccc2c1)NC=O)C1(N)CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.52
OPRM1 P35372 3/20 0.38
KLKB1 P03952 3/20 0.35
KLK1 P06870 2/20 0.35
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
F10 P00742 2/20 0.33
TACR1 P25103 1/20 0.33
MC5R P33032 2/20 0.32
MC1R Q01726 2/20 0.32
CALCRL Q16602 1/20 0.32
MCHR1 Q99705 1/20 0.32
FCER2 P06734 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL736832 0.93 GHSR (0.60) GHSROPRM1KLKB1KLK1MMP2
SCHEMBL737835 0.90 GHSR (0.60) GHSROPRM1KLKB1KLK1MMP2
SCHEMBL739675 0.84 GHSR (0.71) GHSROPRM1KLKB1KLK1MMP2
SCHEMBL736833 0.84 GHSR (0.59) GHSROPRM1KLKB1KLK1MMP2
SCHEMBL737925 0.84 GHSR (0.60) GHSROPRM1KLKB1KLK1MMP2
SCHEMBL737831 0.83 GHSR (0.64) GHSROPRM1KLKB1KLK1MMP2
SCHEMBL739067 0.83 GHSR (0.64) GHSROPRM1KLKB1KLK1MMP2
SCHEMBL14615484 0.81 GHSR (0.51) GHSRKLKB1KLK1MMP2MMP9
SCHEMBL739280 0.81 GHSR (0.59) GHSROPRM1KLKB1KLK1MMP9
SCHEMBL737824 0.81 GHSR (0.56) GHSROPRM1KLKB1KLK1MMP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007014258-A2 GROWTH HORMONE SECRETAGOGUES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2007-02-01 WO disclosed